Identifier Cleaner
Convert between SMILES, InChI, InChIKey, and compound names. Supports PubChem name resolution as a fallback when the input is a common drug name.
Example: aspirin
→ CC(=O)Oc1ccccc1C(=O)O
N#Cc1cccc(CN2CCC(Nc3c(-c4cn[nH]c4)cnc4[nH]ccc34)CC2)c1
InChI=1S/C23H23N7/c24-11-16-2-1-3-17(10-16)15-30-8-5-19(6-9-30)29-22-20-4-7-25-23(20)26-14-21(22)18-12-27-28-13-18/h1-4,7,10,12-14,19H,5-6,8-9,15H2,(H,27,28)(H2,25,26,29)
AYUIWEJHSKEPFQ-UHFFFAOYSA-N
397.49